4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide

C24H23FN2O2S — CID 67357778

IUPAC4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)N2CCc3sccc3C2c2cccc(F)c2)cc1
InChIInChI=1S/C24H23FN2O2S/c1-16-5-7-19(8-6-16)26-22(28)9-10-23(29)27-13-11-21-20(12-14-30-21)24(27)17-3-2-4-18(25)15-17/h2-8,12,14-15,24H,9-11,13H2,1H3,(H,26,28)
InChIKeyCKQYSTNPANZRTD-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.09
Rot. Bonds5

About 4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide

4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide (PubChem CID 67357778) has the molecular formula C24H23FN2O2S and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide
PubChem CID67357778
Molecular FormulaC24H23FN2O2S
Molecular Weight422.53 g/mol
Exact Mass422.15
IUPAC Name4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)N2CCc3sccc3C2c2cccc(F)c2)cc1
InChIInChI=1S/C24H23FN2O2S/c1-16-5-7-19(8-6-16)26-22(28)9-10-23(29)27-13-11-21-20(12-14-30-21)24(27)17-3-2-4-18(25)15-17/h2-8,12,14-15,24H,9-11,13H2,1H3,(H,26,28)
InChIKeyCKQYSTNPANZRTD-UHFFFAOYSA-N
XLogP5.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of 4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide (CID 67357778) is 4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide is Cc1ccc(NC(=O)CCC(=O)N2CCc3sccc3C2c2cccc(F)c2)cc1.
What is the InChIKey of 4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is CKQYSTNPANZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2S/c1-16-5-7-19(8-6-16)26-22(28)9-10-23(29)27-13-11-21-20(12-14-30-21)24(27)17-3-2-4-18(25)15-17/h2-8,12,14-15,24H,9-11,13H2,1H3,(H,26,28).
What are the key properties of 4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide?
4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 422.53 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 67357778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).